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Cas Database |
| Name |
Benzenamine,N-[(4-butoxyphenyl)methylene]-4-butyl- |
EINECS | N/A |
| CAS No. | 29743-09-7 | Density | 0.95 g/cm3 |
| PSA | 21.59000 | LogP | 5.95870 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H27NO | Boiling Point | 443.1 °C at 760 mmHg |
| Molecular Weight | 309.451 | Flash Point | 178.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aniline,N-(p-butoxybenzylidene)-p-butyl- (8CI);4-Butoxybenzylidene-4'-butylaniline;4'-Butyloxybenzylidene-4-butylaniline;N-(p-Butoxybenzylidene)-p-butylaniline;p-Butoxybenzylidene-p-butylaniline;p-Butoxybenzylidene-p'-butylaniline;p-Butyl-N-(p-butoxybenzylidene)aniline;p-n-Butoxybenzylidene-p'-n-butylaniline; |
Article Data | 6 |
Benzenamine,N-[(4-butoxyphenyl)methylene]-4-butyl- Synthetic route
- 104-13-2
4-Butylaniline
- 5736-88-9
p-butoxybenzaldehyde
- 29743-09-7
n-(4-n-butyloxybenzylidene)-4'-n-butylaniline
| Conditions | Yield |
|---|---|
| With acetic acid In ethanol for 4h; Heating; | |
| In ethanol for 2h; Heating; |
Benzenamine,N-[(4-butoxyphenyl)methylene]-4-butyl- Specification
The Benzenamine,N-[(4-butoxyphenyl)methylene]-4-butyl-, with the CAS registry number 29743-09-7, is also known as CID141499. This chemical's molecular formula is C21H27NO and molecular weight is 309.44518. Its IUPAC name is called 1-(4-butoxyphenyl)-N-(4-butylphenyl)methanimine.
Physical properties of Benzenamine,N-[(4-butoxyphenyl)methylene]-4-butyl-: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.65; (4)ACD/LogD (pH 7.4): 6.67; (5)ACD/BCF (pH 5.5): 65494.03; (6)ACD/BCF (pH 7.4): 69138.7; (7)ACD/KOC (pH 5.5): 95994.41; (8)ACD/KOC (pH 7.4): 101336.39; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 98.3 cm3; (13)Molar Volume: 323 cm3; (14)Surface Tension: 33.8 dyne/cm; (15)Density: 0.95 g/cm3; (16)Flash Point: 178.4 °C; (17)Enthalpy of Vaporization: 67.37 kJ/mol; (18)Boiling Point: 443.1 °C at 760 mmHg; (19)Vapour Pressure: 1.24E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCCCC
(2)InChI: InChI=1S/C21H27NO/c1-3-5-7-18-8-12-20(13-9-18)22-17-19-10-14-21(15-11-19)23-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3
(3)InChIKey: OAGDRAPRLSSSQT-UHFFFAOYSA-N
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